cyclobutyl 3-piperidin-3-ylpropanoate

C12H21NO2 — CID 62217581

IUPACcyclobutyl 3-piperidin-3-ylpropanoate
SMILESO=C(CCC1CCCNC1)OC1CCC1
InChIInChI=1S/C12H21NO2/c14-12(15-11-4-1-5-11)7-6-10-3-2-8-13-9-10/h10-11,13H,1-9H2
InChIKeySKGOUQUXVZMXOF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About cyclobutyl 3-piperidin-3-ylpropanoate

cyclobutyl 3-piperidin-3-ylpropanoate (PubChem CID 62217581) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclobutyl 3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Namecyclobutyl 3-piperidin-3-ylpropanoate
PubChem CID62217581
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclobutyl 3-piperidin-3-ylpropanoate
SMILESO=C(CCC1CCCNC1)OC1CCC1
InChIInChI=1S/C12H21NO2/c14-12(15-11-4-1-5-11)7-6-10-3-2-8-13-9-10/h10-11,13H,1-9H2
InChIKeySKGOUQUXVZMXOF-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutyl 3-piperidin-3-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl 2-piperidin-3-ylacetate
CID 62690484
cyclopentyl 3-cyclopentylpropanoate
CID 534685
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
cyclopropyl 3-cyclopropylpropanoate
CID 175261469
(3-methoxy-3-methylbutyl) 3-piperidin-3-ylpropanoate
CID 106666080
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243
cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
methyl 3-(2-piperidin-3-ylethylsulfanyl)propanoate
CID 62356884
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
N,N-bis(2-amino-2-oxoethyl)-3-piperidin-3-ylpropanamide
CID 55133581
N-(2-piperidin-3-ylethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479536

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 3-piperidin-3-ylpropanoate?
The IUPAC name of cyclobutyl 3-piperidin-3-ylpropanoate (CID 62217581) is cyclobutyl 3-piperidin-3-ylpropanoate.
What is the SMILES notation for cyclobutyl 3-piperidin-3-ylpropanoate?
The canonical SMILES for cyclobutyl 3-piperidin-3-ylpropanoate is O=C(CCC1CCCNC1)OC1CCC1.
What is the InChIKey of cyclobutyl 3-piperidin-3-ylpropanoate?
The InChIKey is SKGOUQUXVZMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15-11-4-1-5-11)7-6-10-3-2-8-13-9-10/h10-11,13H,1-9H2.
What are the key properties of cyclobutyl 3-piperidin-3-ylpropanoate?
cyclobutyl 3-piperidin-3-ylpropanoate has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 3-piperidin-3-ylpropanoate is sourced from PubChem (CID 62217581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).